UCSF

ZINC04735979

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 28 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.38 8.85 -14.33 2 7 0 89 401.536 8
Lo Low (pH 4.5-6) 2.63 5.29 -39.43 3 7 1 98 402.544 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )